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Details

Stereochemistry RACEMIC
Molecular Formula C12H18O2S
Molecular Weight 226.335
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE

SMILES

CCCC(=O)C(CC)SC1=C(C)OC=C1

InChI

InChIKey=GFRRQSASJZMMJC-UHFFFAOYSA-N
InChI=1S/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C12H18O2S
Molecular Weight 226.335
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:39:18 GMT 2023
Edited
by admin
on Fri Dec 15 19:39:18 GMT 2023
Record UNII
P0X95DWC8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
FHFI  
Systematic Name English
4-HEPTANONE, 3-((2-METHYL-3-FURANYL)THIO)-
Systematic Name English
3-((2-METHYL-3-FURYL)THIO)HEPTAN-4-ONE
Systematic Name English
3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE, (±)-
Systematic Name English
FEMA NO. 3570
Code English
3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE [FHFI]
Common Name English
3-(2-METHYL-3-FURYLTHIO)-4-HEPTANONE
Systematic Name English
4-HEPTANONE, 3-((2-METHYL-3-FURYL)THIO)-
Systematic Name English
(±)-3-((2-METHYL-3-FURYL)THIO)-4-HEPTANONE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
262-690-1
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
EPA CompTox
DTXSID6047157
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
FDA UNII
P0X95DWC8T
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
CAS
61295-41-8
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
JECFA MONOGRAPH
1017
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY
PUBCHEM
43598
Created by admin on Fri Dec 15 19:39:18 GMT 2023 , Edited by admin on Fri Dec 15 19:39:18 GMT 2023
PRIMARY